Crystallography Open Database

Information card for entry 7113517

Preview

Coordinates	7113517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H44 O P2 Pd
Calculated formula	C25 H44 O P2 Pd
SMILES	[Pd]1([P](Cc2c(cccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
Title of publication	Synthesis, X-ray characterisation and reactions of a trigonal planar palladium(0) carbonyl complex, (tbpx)PdCO
Authors of publication	Bellabarba, Ronan M.; Tooze, Robert P.; Slawin, Alexandra M. Z.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1916 - 1917
a	11.837 ± 0.003 Å
b	16.063 ± 0.004 Å
c	14.731 ± 0.003 Å
α	90°
β	93.358 ± 0.007°
γ	90°
Cell volume	2796.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103827
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210670 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7103827, 7113517. Marking entry 7113517 as a duplicate of entry 7103827.	7113517.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113517.cif
115105	2014-06-02	cif/ Adding structures of 7113517 via cif-deposit CGI script.	7113517.cif